SCHEMBL21687115

SCHEMBL21687115

CC(=O)Nc1cccc2c(=O)n(C3CCC(=O)NC3=O)sc12

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 19/20 0.56
DDB1 Q16531 14/20 0.56
ERCC1 P07992 1/20 0.39
FEN1 P39748 1/20 0.39
ERCC4 Q92889 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21687113 0.81 CRBN (0.50) CRBNDDB1
SCHEMBL21687117 0.78 CRBN (0.50) CRBNDDB1
SCHEMBL21687109 0.78 CRBN (0.52) CRBNDDB1
SCHEMBL21687112 0.78 CRBN (0.46) CRBNDDB1
SCHEMBL21687111 0.76 CRBN (0.45) CRBNDDB1
SCHEMBL25124002 0.73 CRBN (0.67) CRBNDDB1
SCHEMBL17873776 0.73 CRBN (0.68) CRBNDDB1
SCHEMBL30616204 0.73 CRBN (0.68) CRBNDDB1
SCHEMBL21687108 0.73 CRBN (0.56) CRBNDDB1
SCHEMBL2384927 0.72 DDB1 (1.00) CRBNDDB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292315-A1 SELENIUM-CONTAINING ISOXAZOLAMINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI XINGYE PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2021-09-23 US disclosed
WO-2020020099-A1 SELENIUM-CONTAINING ISOXAZOLAMINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海星叶医药科技有限公司 2020-01-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210292315-A1 SELENIUM-CONTAINING ISOXAZOLAMINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF AIFM2, GPX1, AIFM1 CRBN 3372/4885DDB1 4153/4885ERCC1 3274/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.